General Information of the Compound
Compound ID
CP0488899
Compound Name
4,4'-(6-(5-(pyridin-4-yl)furan-2-yl)pyrimidine-2,4-diyl)dimorpholine
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Structure
Formula
C21H23N5O3
Molecular Weight
393.447
Canonical SMILES
C1CN(CCO1)c1cc(nc(n1)N1CCOCC1)-c1ccc(o1)-c1ccncc1
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InChI
InChI=1S/C21H23N5O3/c1-2-19(29-18(1)16-3-5-22-6-4-16)17-15-20(25-7-11-27-12-8-25)24-21(23-17)26-9-13-28-14-10-26/h1-6,15H,7-14H2
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InChIKey
AGMONRAPNWWEIA-UHFFFAOYSA-N
Physicochemical Property
logP
2.4718
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
76.75
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 45487716
ChEMBL ID
CHEMBL571318
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 520 nM
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